SCHEMBL8087895

SCHEMBL8087895

CC(C)C1(c2ccc(O)cc2)C=CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.41
ESR1 P03372 3/20 0.41
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CCR2 P41597 3/20 0.32
HSD11B1 P28845 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5598119 0.74 ESR2 (0.47) ESR2ESR1MMP2MMP9HSD11B1
SCHEMBL29418154 0.68 ESR2 (0.52) ESR2ESR1MMP2MMP9
SCHEMBL3035977 0.66 ESR2 (0.45) ESR2ESR1MMP2MMP9CA12
Hydroquinone SCHEMBL9340194 0.62 ALOX15 (0.53) ESR2ESR1CA12CA1CA2
SCHEMBL27709513 0.62
SCHEMBL1495106 0.61 ESR2 (0.54) ESR2ESR1MMP2MMP9HSD11B1
SCHEMBL5241008 0.61 ESR2 (0.60) ESR2ESR1MMP2MMP9CA12
SCHEMBL3682201 0.61 ESR2 (0.39) ESR2ESR1MMP2MMP9PDCD1
SCHEMBL11325038 0.61 ESR2 (0.54) ESR2ESR1MMP2MMP9HSD11B1
SCHEMBL4492789 0.60 ESR2 (0.52) ESR2ESR1MMP2MMP9PDCD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000159711-A CYLOHEXENYLPHENOLS AND THEIR PRODUCTION HONSHU CHEM IND CO LTD 2000-06-13 JP disclosed